SCHEMBL4059196

SCHEMBL4059196

O=S(=O)(Nc1nc2ncccn2n1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.50
KMT2A Q03164 2/20 0.50
GLA P06280 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.46
ADRB2 P07550 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NOD2 Q9HC29 1/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.45
SLC40A1 Q9NP59 2/20 0.45
G6PD P11413 1/20 0.45
NFKBIA P25963 1/20 0.45
AGTR1 P30556 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8357447 0.82 SLC40A1 (0.49) ALDH1A1HPGDKMT2ANPC1RAB9A
SCHEMBL4065984 0.79 KDM4E (0.51) ALDH1A1KDM4EHPGDKMT2AGLA
SCHEMBL4061727 0.78 JAK2 (0.56) ALDH1A1KDM4EHPGDKMT2AGLA
SCHEMBL3190914 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDKMT2ANPC1
SCHEMBL332569 0.75 TSHR (0.70) ALDH1A1KDM4EKMT2ANPSR1TSHR
SCHEMBL13204665 0.75 HPGD (0.40) ALDH1A1KDM4EHPGDKMT2ANPC1
SCHEMBL1385951 0.74 HPGD (0.41) ALDH1A1KDM4EHPGDKMT2AGLA
SCHEMBL4064582 0.72 GLA (0.52) ALDH1A1KDM4EKMT2AGLANPSR1
SCHEMBL8881888 0.71 KDM4E (0.46) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL20435844 0.71 CYP19A1 (0.47) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330458-B1 N-( 1,2,4 TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-06-03 EP disclosed
EP-1242425-B1 N-(5,7-DIMETHOXY[1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YL) ARYLSULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2004-03-03 EP disclosed
US-6645918-B1 N-(Triazolo(1,5-a)pyrimidinyl)thiophenesulfonamide compounds; postemergence herbicides; agriculture DOW AGROSCIENCES LLC 2003-11-11 US disclosed
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES ARNDT KIM ERIC (US) 2003-10-23 US disclosed
US-6559101-B2 Controlling weeds; agriculture DOW AGROSCIENCES LLC 2003-05-06 US disclosed
US-6518222-B2 Prepared from 2-amino(1,2,4)triazolo(1,5-c)pyrimidine, 2-amino(1,2,4)triazolo(1,5-a)pyrimidine, and 2-amino(1,2,4)triazolo(1,5-a)pyridine compounds and thiophenesulfonyl chloride compounds DOW AGROSCIENCES LLC 2003-02-11 US disclosed
US-20020111361-A1 N- (5, 7-dimethoxy [1, 2, 4] triazolo [1, 5-a] pyrimidin-2-yl) arylsulfonamide compounds and their use as herbicides CORTEVA AGRISCIENCE LLC 2002-08-15 US disclosed
US-20020094935-A1 N-([1,2,4] triazoloazinyl) thiophenesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC 2002-07-18 US disclosed
US-6303814-B1 N-[1,2,4]triazoloazinyl) benzenesulfonamide and pyridinesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC 2001-10-16 US disclosed
EP-0877745-B1 N-( 1,2,4] TRIAZOLOAZINYL)BENZENESULFONAMIDE AND PYRIDINESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-25 EP disclosed
US-6005108-A POST-EMERGENCE TOTAL VEGETATION CONTROL OR SELECTIVE CONTROL OF WEEDS IN WHEAT, RICE AND OIL-SEED RAPE CROPS JOHNSON TIMOTHY C (US) 1999-12-21 US disclosed
US-5965490-A NOVEL COMPOUNDS WITH IMPROVED SELECTIVITY TO VALUABLE CROPS AND IMPROVED TOXICOLOGICAL AND ENVIRONMENTAL ATTRIBUTES; APPLYING TO CONTROL WEEDS BY EITHER PREEMERGENCE OR POSTEMERGENCE APPLICATION DOW AGROSCIENCES LLC (US) 1999-10-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020094935-A1 N-([1,2,4] triazoloazinyl) thiophenesulfonamide compounds and their use as herbicides PNPO, NAT1, DDT ALDH1A1 1169/4885KDM4E 1222/4885HPGD 3857/4885
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES NAT1, TST, TASP1 ALDH1A1 730/4885KDM4E 1937/4885HPGD 4248/4885
US-20020111361-A1 N- (5, 7-dimethoxy [1, 2, 4] triazolo [1, 5-a] pyrimidin-2-yl) arylsulfonamide compounds and their use as herbicides DDT, DDO, DAO ALDH1A1 662/4885KDM4E 221/4885HPGD 4278/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.